Compound Detail
CHEMBL2270892
TREHAZOLIN Enter ChEMBL ID:
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OC[C@H]1O[C@H](NC2=N[C@@H]3[C@H](O2)[C@@H](O)[C@H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2270892 |
| Name | TREHAZOLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRKVPNOUINUNKY-UXTOMXPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.3
MW (Da)
-6.04
ALogP
12
HBA
9
HBD
204.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trehalase CHEMBL2268008 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trehalase | IC50 | = | 49.0 | nM | 7.31 | Inhibition of Bombyx mori trehalase | 11714317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11714317 | 10.1021/jf010632k | Trehalase | 1 |
Data from ChEMBL 36 via Core Engine